2-[(4-propylcyclohexyl)amino]ethylurea

C12H25N3O — CID 83111793

IUPAC2-[(4-propylcyclohexyl)amino]ethylurea
SMILESCCCC1CCC(NCCNC(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-2-3-10-4-6-11(7-5-10)14-8-9-15-12(13)16/h10-11,14H,2-9H2,1H3,(H3,13,15,16)
InChIKeyTUWSVTUOUBELQY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.60
Rot. Bonds6

About 2-[(4-propylcyclohexyl)amino]ethylurea

2-[(4-propylcyclohexyl)amino]ethylurea (PubChem CID 83111793) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(4-propylcyclohexyl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-propylcyclohexyl)amino]ethylurea
PubChem CID83111793
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(4-propylcyclohexyl)amino]ethylurea
SMILESCCCC1CCC(NCCNC(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-2-3-10-4-6-11(7-5-10)14-8-9-15-12(13)16/h10-11,14H,2-9H2,1H3,(H3,13,15,16)
InChIKeyTUWSVTUOUBELQY-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-propylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113218943
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
methyl 4-[2-(carbamoylamino)ethylamino]cyclohexane-1-carboxylate
CID 112753620
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
2-(piperidin-4-ylamino)ethylurea
CID 83109296
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
CID 77031889
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
2-[(1-methylazepan-4-yl)amino]ethylurea
CID 83111293
N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide
CID 77031441
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
CID 141409731

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylcyclohexyl)amino]ethylurea?
The IUPAC name of 2-[(4-propylcyclohexyl)amino]ethylurea (CID 83111793) is 2-[(4-propylcyclohexyl)amino]ethylurea.
What is the SMILES notation for 2-[(4-propylcyclohexyl)amino]ethylurea?
The canonical SMILES for 2-[(4-propylcyclohexyl)amino]ethylurea is CCCC1CCC(NCCNC(N)=O)CC1.
What is the InChIKey of 2-[(4-propylcyclohexyl)amino]ethylurea?
The InChIKey is TUWSVTUOUBELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-3-10-4-6-11(7-5-10)14-8-9-15-12(13)16/h10-11,14H,2-9H2,1H3,(H3,13,15,16).
What are the key properties of 2-[(4-propylcyclohexyl)amino]ethylurea?
2-[(4-propylcyclohexyl)amino]ethylurea has a molecular weight of 227.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylcyclohexyl)amino]ethylurea is sourced from PubChem (CID 83111793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).